SCHEMBL7084628

SCHEMBL7084628

COc1ccccc1CNC[C@@H](Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.56
GAA P10253 1/20 0.52
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 4/20 0.46
MITF O75030 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
HTR5A P47898 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6299360 1.00 TACR1 (0.56) TACR1GAAMAPTLMNAKMT2A
SCHEMBL6953117 0.82 MEN1 (0.54) GAAKMT2AMEN1KDM4EALDH1A1
SCHEMBL6307079 0.82 MAPT (0.54) TACR1MAPTLMNAKMT2AMEN1
SCHEMBL7086322 0.82 MAPT (0.54) TACR1MAPTLMNAKMT2AMEN1
SCHEMBL6952606 0.80 TACR1 (0.67) TACR1GAAMAPTLMNA
SCHEMBL6301682 0.80 HTR2A (0.58) TACR1GAAMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL7834943 0.79 GAA (0.58) TACR1GAAMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL7837180 0.79 GAA (0.58) TACR1GAAMAPTLMNAKMT2A
SCHEMBL7090474 0.79 MAPT (0.67) TACR1GAAMAPTLMNAKMT2A
SCHEMBL6307157 0.79 MAPT (0.67) TACR1GAAMAPTLMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005454-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2003-01-15 EP disclosed
US-6358994-B1 2-((2-PHENOXY)ACETYL)AMINO-3-(1H-INDOL-3-YL)-1-(N-2 -METHOXYBENZYL)ACETYLAMINO)PROPANE ELI LILLY AND COMPANY 2002-03-19 US disclosed
US-6339094-B1 FOR THERAPY OF CONDITION ASSOCIATED WITH AN EXCESS OF TACHYKININS SUCH AS MIGRANE HEADACHES ELI LILLY AND COMPANY 2002-01-15 US disclosed
EP-0693489-B1 Heterocyclic tachykinin receptor antagonist LILLY CO ELI (US) 2001-09-12 EP disclosed
CN-1067067-C Heterocyclic tachykinin receptor antagonists LILLY CO ELI (US) 2001-06-13 CN disclosed
EP-1003723-A4 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2000-11-02 EP disclosed
EP-0912178-A4 METHODS OF TREATING HYPERTENSION LILLY CO ELI (US) 2000-08-16 EP disclosed
EP-0932406-A4 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS LILLY CO ELI (US) 2000-07-05 EP disclosed
EP-1005454-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-06-07 EP disclosed
EP-1003723-A1 2-ACYLAMINOPROPANAMINES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-05-31 EP disclosed
WO-1996041633-A1 METHODS OF TREATING COLD AND ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1996-12-27 WO disclosed
EP-0747049-A1 Use of tachykinin antagonists in combination with serotonin agonists or serotonin reuptake inhibitors for the manufacture of a medicament for the treatment of allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 EP disclosed
EP-0747055-A2 Use of tachykinin receptors antagonists for the treatment of cold and allergic rhinitis ELI LILLY AND COMPANY (US) 1996-12-11 EP disclosed
WO-1996029074-A1 METHODS OF TREATING OR PREVENTING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
WO-1996024353-A1 METHODS OF TREATING OR PREVENTING PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY (US) 1996-08-15 WO disclosed
US-5530009-A TREATING ASTHMA ELI LILLY AND COMPANY (US) 1996-06-25 US disclosed
EP-0710479-A1 Use of a serotonin agonist in combination with a tachykinin receptor antagonist for the manufacture of a medicament for the treatment or prevention of migraine ELI LILLY AND COMPANY (US) 1996-05-08 EP disclosed
WO-1996011000-A1 METHODS OF TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1996-04-18 WO disclosed
WO-1996001819-A1 HETEROCYCLIC TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-01-25 WO disclosed
EP-0693489-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-24 EP disclosed